2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol

C8H15F2NO — CID 105437933

IUPAC2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol
SMILESCCN1CCC(C(F)(F)CO)C1
InChIInChI=1S/C8H15F2NO/c1-2-11-4-3-7(5-11)8(9,10)6-12/h7,12H,2-6H2,1H3
InChIKeyGBJCHQSNIHMYBS-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.96
Rot. Bonds3

About 2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol

2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol (PubChem CID 105437933) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol
PubChem CID105437933
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol
SMILESCCN1CCC(C(F)(F)CO)C1
InChIInChI=1S/C8H15F2NO/c1-2-11-4-3-7(5-11)8(9,10)6-12/h7,12H,2-6H2,1H3
InChIKeyGBJCHQSNIHMYBS-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol (CID 105437933) is 2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol is CCN1CCC(C(F)(F)CO)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol?
The InChIKey is GBJCHQSNIHMYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-2-11-4-3-7(5-11)8(9,10)6-12/h7,12H,2-6H2,1H3.
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol?
2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol has a molecular weight of 179.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)-2,2-difluoroethanol is sourced from PubChem (CID 105437933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).